CID 174135089

C9H4BF3N2 — CID 174135089

IUPAC—
SMILES[B]c1ccc(C(F)(F)F)c2nccnc12
InChIInChI=1S/C9H4BF3N2/c10-6-2-1-5(9(11,12)13)7-8(6)15-4-3-14-7/h1-4H
InChIKeyLHRZPBAWKXZDSI-UHFFFAOYSA-N
MW207.95 g/mol
LogP1.44
Rot. Bonds

About CID 174135089

CID 174135089 (PubChem CID 174135089) has the molecular formula C9H4BF3N2 and a molecular weight of 207.95 g/mol.

Molecular Properties

Compound NameCID 174135089
PubChem CID174135089
Molecular FormulaC9H4BF3N2
Molecular Weight207.95 g/mol
Exact Mass208.04
IUPAC Name—
SMILES[B]c1ccc(C(F)(F)F)c2nccnc12
InChIInChI=1S/C9H4BF3N2/c10-6-2-1-5(9(11,12)13)7-8(6)15-4-3-14-7/h1-4H
InChIKeyLHRZPBAWKXZDSI-UHFFFAOYSA-N
XLogP1.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.95
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
2-methoxy-3,4-bis(trifluoromethyl)pyridine
CID 133095141
N,N-diamino-3-(trifluoromethyl)pyridin-2-amine
CID 68718217
imino-[8-(trifluoromethyl)quinolin-4-yl]iminoazanium
CID 6334146
CID 174801189
CID 174801189
2-pyrrol-1-yl-3-(trifluoromethyl)pyridine
CID 173026104
3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 69024684
(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 131017310
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 154630724
tert-butyl N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]carbamate
CID 129240611

Frequently Asked Questions

What is the IUPAC name of CID 174135089?
The IUPAC name of CID 174135089 (CID 174135089) is not available.
What is the SMILES notation for CID 174135089?
The canonical SMILES for CID 174135089 is [B]c1ccc(C(F)(F)F)c2nccnc12.
What is the InChIKey of CID 174135089?
The InChIKey is LHRZPBAWKXZDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BF3N2/c10-6-2-1-5(9(11,12)13)7-8(6)15-4-3-14-7/h1-4H.
What are the key properties of CID 174135089?
CID 174135089 has a molecular weight of 207.95 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174135089 is sourced from PubChem (CID 174135089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).